8-decylsulfanyl-3-methyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-decylsulfanyl-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-decylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 8-(decylthio)-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-decylsulfanyl-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(decylthio)-3-methyl-xanthine Formula: C19H30N4O2S MolecularWeight: 378.5321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCSC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H30N4O2S/c1-4-6-7-8-9-10-11-12-14-26-19-20-16-15(23(19)13-5-2)17(24)21-18(25)22(16)3/h5H,2,4,6-14H2,1,3H3,(H,21,24,25)